Exploring kinase family inhibitors and their moiety preferences using deep SHapley additive exPlanations

Exploring kinase family inhibitors and their moiety preferences using deep SHapley additive exPlanations

Abstract Background While it has been known that human protein kinases mediate most signal transductions in cells and their dysfunction can result in inflammatory diseases and cancers, it remains a challenge to find effective kinase inhibitor as drugs for these diseases. One major challenge is the c...

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Bibliographic Details
Main Authors: You-Wei Fan, Wan-Hsin Liu, Yun-Ti Chen, Yen-Chao Hsu, Nikhil Pathak, Yu-Wei Huang, Jinn-Moon Yang
Format: Article
Language:English
Published: BMC 2022-06-01
Series:BMC Bioinformatics
Subjects:
Explainable deep neural networks
SHapley Additive exPlanations
Kinase family inhibitors
Moiety preferences
Common and specific moieties
Online Access:https://doi.org/10.1186/s12859-022-04760-5

Internet

https://doi.org/10.1186/s12859-022-04760-5

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